EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	RSBOMOMXLLEHTL-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCC
InChI	InChI=1S/C75H152O31/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-77-18-20-79-22-24-81-26-28-83-30-32-85-34-36-87-38-40-89-42-44-91-46-48-93-50-52-95-54-56-97-58-60-99-62-64-101-66-68-103-70-72-105-74-75-106-73-71-104-69-67-102-65-63-100-61-59-98-57-55-96-53-51-94-49-47-92-45-43-90-41-39-88-37-35-86-33-31-84-29-27-82-25-23-80-21-19-78-17-15-76/h76H,2-75H2,1H3

InChI Key

RSBOMOMXLLEHTL-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCC

InChI

InChI=1S/C75H152O31/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-77-18-20-79-22-24-81-26-28-83-30-32-85-34-36-87-38-40-89-42-44-91-46-48-93-50-52-95-54-56-97-58-60-99-62-64-101-66-68-103-70-72-105-74-75-106-73-71-104-69-67-102-65-63-100-61-59-98-57-55-96-53-51-94-49-47-92-45-43-90-41-39-88-37-35-86-33-31-84-29-27-82-25-23-80-21-19-78-17-15-76/h76H,2-75H2,1H3

Property Name	Value
Molecular Formula	C75H152O31
Molecular Weight	1549.03
AlogP	5.57
Hydrogen Bond Acceptor	31.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	103.0
Polar Surface Area	297.13
Heavy Atoms	106.0

Property Name

Value

Molecular Formula

C75H152O31

Molecular Weight

1549.03

AlogP

5.57

Hydrogen Bond Acceptor

31.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

103.0

Polar Surface Area

297.13

Heavy Atoms

106.0

Resources	Reference
NORMAN SUSDAT
PubChem	139596974

Resources

Reference

NORMAN SUSDAT

PubChem

139596974

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

C15 ALCOHOL, PREDOMINATELY LINEAR 30 EO

Structure

Physicochemical Descriptors

Cross References